46505465 -OEChem-04242402202D 80 83 0 1 0 0 0 0 0999 V2000 5.6455 -2.0993 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1254 -2.0993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 0.9878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -6.3781 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6558 6.1555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2381 5.4510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5500 0.5697 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3854 -0.8392 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5391 0.3607 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -2.3781 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 1.6923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5555 0.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9568 -0.3438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1378 1.3787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9677 -0.1348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9732 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3854 -0.8392 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9513 -0.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1324 1.2742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0764 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -1.7903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -0.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5336 0.2561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -3.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 0.8833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -3.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7515 -4.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -4.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8854 -5.3781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0233 2.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0179 2.7104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4356 3.4149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4246 3.6240 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8423 4.3284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8368 4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -6.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -7.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2436 5.3465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0625 7.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4747 7.8781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7264 1.2702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9983 0.9460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -0.4938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0000 -0.9623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3087 1.9747 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5806 1.6505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7968 -0.7307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5250 -0.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1441 0.5658 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4160 0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6669 -0.2868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7804 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5086 -0.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7339 1.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0891 1.8927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2836 0.3165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3670 -0.4762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4688 -0.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1502 0.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5984 0.8727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -3.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -3.5681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2884 -5.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4825 -5.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3823 2.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 3.3501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0412 3.6888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4779 4.8300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8074 -6.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4088 -6.9858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3994 -7.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0194 -8.4981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6394 -7.8781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 6.7224 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4932 7.5151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9763 8.2425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1103 8.3797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9731 7.5137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 2 0 0 0 0 2 20 2 0 0 0 0 3 25 2 0 0 0 0 4 30 1 0 0 0 0 4 37 1 0 0 0 0 5 39 1 0 0 0 0 5 40 1 0 0 0 0 6 39 2 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 23 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 10 24 1 0 0 0 0 11 25 1 0 0 0 0 11 31 1 0 0 0 0 11 64 1 0 0 0 0 12 15 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 18 1 0 0 0 0 13 44 1 0 0 0 0 13 45 1 0 0 0 0 14 19 1 0 0 0 0 14 46 1 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 15 49 1 0 0 0 0 16 50 1 0 0 0 0 16 51 1 0 0 0 0 17 20 1 0 0 0 0 17 22 1 0 0 0 0 17 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 55 1 0 0 0 0 19 56 1 0 0 0 0 22 25 1 0 0 0 0 22 57 1 0 0 0 0 22 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 26 62 1 0 0 0 0 27 29 2 0 0 0 0 27 63 1 0 0 0 0 28 30 2 0 0 0 0 28 65 1 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 67 1 0 0 0 0 33 35 2 0 0 0 0 33 68 1 0 0 0 0 34 36 2 0 0 0 0 34 69 1 0 0 0 0 35 36 1 0 0 0 0 35 70 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 71 1 0 0 0 0 37 72 1 0 0 0 0 38 73 1 0 0 0 0 38 74 1 0 0 0 0 38 75 1 0 0 0 0 40 41 1 0 0 0 0 40 76 1 0 0 0 0 40 77 1 0 0 0 0 41 78 1 0 0 0 0 41 79 1 0 0 0 0 41 80 1 0 0 0 0 M END > 46505465 > 1 > 898 > 8 > 1 > 13 > AAADcfB7uABAAAAAAAAAAAAAAAAAAWAAAAA8YIAAAAAAAAABQAAAHgQQAAAADCzhmAYzzoPABACMAiXSWACCCAAlIggIiAGObMiMZjrE9buWOSjs1RPI6ae92SOeCEAAAAAAAAAQgAAAAAAAAAAAAAAAAA== > ethyl 4-[[2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate > 4-[[2-[1-(4-ethoxyphenyl)-3-[3-(4-methyl-1-piperazinyl)propyl]-5-oxo-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester > ethyl 4-[[2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate > ethyl 4-[[2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate > ethyl 4-[2-[1-(4-ethoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)propyl]-5-oxidanylidene-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate > 4-[[2-[5-keto-3-[3-(4-methylpiperazino)propyl]-1-p-phenetyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester > InChI=1S/C30H39N5O5S/c1-4-39-25-13-11-24(12-14-25)35-28(37)26(34(30(35)41)16-6-15-33-19-17-32(3)18-20-33)21-27(36)31-23-9-7-22(8-10-23)29(38)40-5-2/h7-14,26H,4-6,15-21H2,1-3H3,(H,31,36) > BLVNTILSFRNBIZ-UHFFFAOYSA-N > 3.1 > 581.26719054 > C30H39N5O5S > 581.7 > CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)C)CC(=O)NC4=CC=C(C=C4)C(=O)OCC > CCOC1=CC=C(C=C1)N2C(=O)C(N(C2=S)CCCN3CCN(CC3)C)CC(=O)NC4=CC=C(C=C4)C(=O)OCC > 127 > 581.26719054 > 0 > 41 > 0 > 1 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 17 22 3 24 26 8 24 27 8 26 28 8 27 29 8 28 30 8 29 30 8 31 32 8 31 33 8 32 34 8 33 35 8 34 36 8 35 36 8 $$$$